butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate

C17H23FN2O3 — CID 108559345

IUPACbutyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H23FN2O3/c1-2-3-12-23-17(22)20-10-8-13(9-11-20)19-16(21)14-6-4-5-7-15(14)18/h4-7,13H,2-3,8-12H2,1H3,(H,19,21)
InChIKeyCPTFJKWDYCVZLS-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.96
Rot. Bonds5

About butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate

butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate (PubChem CID 108559345) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
PubChem CID108559345
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Namebutyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H23FN2O3/c1-2-3-12-23-17(22)20-10-8-13(9-11-20)19-16(21)14-6-4-5-7-15(14)18/h4-7,13H,2-3,8-12H2,1H3,(H,19,21)
InChIKeyCPTFJKWDYCVZLS-UHFFFAOYSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561579
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559396
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate (CID 108559345) is butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(NC(=O)c2ccccc2F)CC1.
What is the InChIKey of butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is CPTFJKWDYCVZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-2-3-12-23-17(22)20-10-8-13(9-11-20)19-16(21)14-6-4-5-7-15(14)18/h4-7,13H,2-3,8-12H2,1H3,(H,19,21).
What are the key properties of butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate?
butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 322.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108559345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).